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79889-21-7 | Hydroperoxide, 1-methyl-4-phenyl-1-(2-phenylethyl)butyl
CAS No: 79889-21-7 Catalog No: AG0054X1 MDL No:
Product Description
Catalog Number:
AG0054X1
Chemical Name:
Hydroperoxide, 1-methyl-4-phenyl-1-(2-phenylethyl)butyl
CAS Number:
79889-21-7
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
IUPAC Name:
(3-hydroperoxy-3-methyl-6-phenylhexyl)benzene
InChI:
InChI=1S/C19H24O2/c1-19(21-20,16-14-18-11-6-3-7-12-18)15-8-13-17-9-4-2-5-10-17/h2-7,9-12,20H,8,13-16H2,1H3
InChI Key:
UUWRKRBODGNIEM-UHFFFAOYSA-N
SMILES:
OOC(CCc1ccccc1)(CCCc1ccccc1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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